BDBM50452136 CHEMBL4206467
SMILES: COc1nc2ccc(Br)cc2cc1[C@@H](c1cc(C)c(C)s1)[C@@](O)(CCN(C)C)c1cccc(F)c1
InChI Key: InChIKey=RWCFTLBNENZRDY-XTEPFMGCSA-N
Data: 2 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM50452136 (CHEMBL4206467) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of human ERG | Bioorg Med Chem Lett 27: 5190-5196 (2017) Article DOI: 10.1016/j.bmcl.2017.10.042 BindingDB Entry DOI: 10.7270/Q2X3511S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50452136 (CHEMBL4206467) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of CYP3A4 (unknown origin) after 20 mins | Bioorg Med Chem Lett 27: 5190-5196 (2017) Article DOI: 10.1016/j.bmcl.2017.10.042 BindingDB Entry DOI: 10.7270/Q2X3511S | |||||||||||
More data for this Ligand-Target Pair |